Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 1D' and Ligand = 'BDBM50054762'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50054762 (CHEMBL143512 | Trifluoro-methanesulfonic acid 3-(2...) Show SMILES NCCc1c[nH]c2ccc(OS(=O)(=O)C(F)(F)F)cc12 Show InChI InChI=1S/C11H11F3N2O3S/c12-11(13,14)20(17,18)19-8-1-2-10-9(5-8)7(3-4-15)6-16-10/h1-2,5-6,16H,3-4,15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Groningen Curated by ChEMBL					Assay Description Compound was tested for binding affinity against cloned human 5-hydroxytryptamine 1D receptor alpha expressed in CHO-K1 cells.				J Med Chem 39: 4717-26 (1997) Article DOI: 10.1021/jm9604890 BindingDB Entry DOI: 10.7270/Q2R210GS
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50054762 (CHEMBL143512 | Trifluoro-methanesulfonic acid 3-(2...) Show SMILES NCCc1c[nH]c2ccc(OS(=O)(=O)C(F)(F)F)cc12 Show InChI InChI=1S/C11H11F3N2O3S/c12-11(13,14)20(17,18)19-8-1-2-10-9(5-8)7(3-4-15)6-16-10/h1-2,5-6,16H,3-4,15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Groningen Curated by ChEMBL					Assay Description Compound was tested for intrinsic efficacy against human 5-hydroxytryptamine 1D receptor alpha measured as the reduction of forskolin-stimulated cAMP...				J Med Chem 39: 4717-26 (1997) Article DOI: 10.1021/jm9604890 BindingDB Entry DOI: 10.7270/Q2R210GS
					More data for this Ligand-Target Pair